ethyl 6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-[(2-methylphenyl)sulfanylmethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-[(2-methylphenyl)sulfanylmethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-(o-tolylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-4-[(2-methyl-1-imidazolyl)methyl]-2-[[(2-methylphenyl)thio]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-[(2-methylphenyl)sulfanylmethyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-[(o-tolylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H26BrN3O3S MolecularWeight: 528.46124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CSC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3C=CN=C3C)O)Br)C)CSC4=CC=CC=C4C

InChI

InChI=1S/C25H26BrN3O3S/c1-5-32-25(31)23-20(14-33-21-9-7-6-8-15(21)2)28(4)19-12-18(26)24(30)17(22(19)23)13-29-11-10-27-16(29)3/h6-12,30H,5,13-14H2,1-4H3